⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28813721 | 0.98 | — | — | |
| SCHEMBL6771480 | 0.80 | — | — | |
| SCHEMBL7461297 | 0.78 | — | — | |
| SCHEMBL7404052 | 0.72 | CYP17A1 (0.31) | — | |
| SCHEMBL7260793 | 0.72 | KCNH2 (0.34) | — | |
| SCHEMBL6772665 | 0.72 | — | — | |
| SCHEMBL7081435 | 0.72 | KMT2A (0.37) | — | |
| SCHEMBL1906698 | 0.72 | KDM4E (0.42) | — | |
| SCHEMBL8445114 | 0.71 | — | — | |
| SCHEMBL729746 | 0.71 | MEN1 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6693123-B2 | (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA | UNIVERSITY OF PITTSBURGH | 2004-02-17 | — | — | US | disclosed |
| EP-0873123-B1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 2003-04-09 | — | — | EP | disclosed |
| US-20020193596-A1 | Inhibitors of protein isoprenyl transferases | UNIVERSITY OF PITTSBURGH (US) | 2002-12-19 | — | — | US | disclosed |